CID 11984040

68085-53-0

Structural Information

Molecular Formula
C4H3BrO3
SMILES
C1=C(C(OC1=O)O)Br
InChI
InChI=1S/C4H3BrO3/c5-2-1-3(6)8-4(2)7/h1,4,7H
InChIKey
QRRVTWKCQQJKMN-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.92656 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.93384 126.0
[M+Na]+ 200.91578 139.1
[M-H]- 176.91928 132.3
[M+NH4]+ 195.96038 149.6
[M+K]+ 216.88972 130.4
[M+H-H2O]+ 160.92382 127.4
[M+HCOO]- 222.92476 147.3
[M+CH3COO]- 236.94041 172.7
[M+Na-2H]- 198.90123 133.6
[M]+ 177.92601 144.8
[M]- 177.92711 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe